SCHEMBL6019512

SCHEMBL6019512

CCN(C#N)C(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.50
CTSK P43235 4/20 0.50
CTSB P07858 3/20 0.50
CTSS P25774 3/20 0.50
FPR2 P25090 10/20 0.45
FPR1 P21462 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CTSH P09668 1/20 0.43
CYP2D6 P10635 1/20 0.43
CTSC P53634 1/20 0.43
CHRM3 P20309 1/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6020184 0.94 FPR2 (0.51) CTSLCTSKCTSBCTSSFPR2
SCHEMBL6021240 0.90 CTSL (0.49) CTSLCTSKCTSBCTSSFPR2
SCHEMBL6020437 0.89 FPR2 (0.52) FPR2FPR1CHRM3
SCHEMBL6019735 0.88 CTSB (0.52) CTSLCTSKCTSBCTSSFPR2
SCHEMBL6020374 0.86 FPR2 (0.53) CTSLCTSKCTSBCTSSFPR2
SCHEMBL6020284 0.85 FPR2 (0.51) FPR2FPR1
SCHEMBL6019679 0.85 FPR2 (0.47) CTSLCTSKCTSBCTSSFPR2
SCHEMBL6019826 0.84 CTSL (0.51) CTSLCTSKCTSBCTSS
SCHEMBL6019816 0.84 CTSL (0.48) CTSLCTSKCTSBCTSSFPR2
SCHEMBL6020211 0.84 CTSL (0.48) CTSLCTSKCTSBCTSSMME

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 CTSL 2274/4885CTSK 2529/4885CTSB 2514/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.